(2R)-3-phenyl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoic acid

C19H23NO4S — CID 1186780

IUPAC(2R)-3-phenyl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoic acid
SMILESCc1cc(C)c(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)O)c1C
InChIInChI=1S/C19H23NO4S/c1-12-10-13(2)15(4)18(14(12)3)25(23,24)20-17(19(21)22)11-16-8-6-5-7-9-16/h5-10,17,20H,11H2,1-4H3,(H,21,22)/t17-/m1/s1
InChIKeySTQXOMYIGNWPDF-QGZVFWFLSA-N
MW361.46 g/mol
LogP2.89
Rot. Bonds6

About (2R)-3-phenyl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoic acid

(2R)-3-phenyl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoic acid (PubChem CID 1186780) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is (2R)-3-phenyl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-phenyl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoic acid
PubChem CID1186780
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC Name(2R)-3-phenyl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoic acid
SMILESCc1cc(C)c(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)O)c1C
InChIInChI=1S/C19H23NO4S/c1-12-10-13(2)15(4)18(14(12)3)25(23,24)20-17(19(21)22)11-16-8-6-5-7-9-16/h5-10,17,20H,11H2,1-4H3,(H,21,22)/t17-/m1/s1
InChIKeySTQXOMYIGNWPDF-QGZVFWFLSA-N
XLogP2.89
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoic acid
CID 43238329
(2R)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]pentanoic acid
CID 104935403
(2S)-3-(4-hydroxyphenyl)-2-[(2-methylphenyl)sulfonylamino]propanoic acid
CID 69341011
(2S)-N-benzyl-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 92646044
(2S)-2-[(4-tert-butylphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 1190229
(2R)-N-cyclopentyl-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 92646029
(2R)-N-tert-butyl-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 92646025
(2R)-N,N-diethyl-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 30142897
2-(1-hydroxyethylsulfonylamino)-3-phenylpropanoic acid
CID 176961767
3-phenyl-2-(propan-2-ylsulfamoylamino)propanoic acid
CID 85300232
2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoic acid
CID 43827519
2-[(2-ethoxy-2-oxoethyl)sulfonylamino]-3-phenylpropanoic acid
CID 61457000

Frequently Asked Questions

What is the IUPAC name of (2R)-3-phenyl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoic acid?
The IUPAC name of (2R)-3-phenyl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoic acid (CID 1186780) is (2R)-3-phenyl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoic acid.
What is the SMILES notation for (2R)-3-phenyl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoic acid?
The canonical SMILES for (2R)-3-phenyl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoic acid is Cc1cc(C)c(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)O)c1C.
What is the InChIKey of (2R)-3-phenyl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoic acid?
The InChIKey is STQXOMYIGNWPDF-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-12-10-13(2)15(4)18(14(12)3)25(23,24)20-17(19(21)22)11-16-8-6-5-7-9-16/h5-10,17,20H,11H2,1-4H3,(H,21,22)/t17-/m1/s1.
What are the key properties of (2R)-3-phenyl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoic acid?
(2R)-3-phenyl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoic acid has a molecular weight of 361.46 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-phenyl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoic acid is sourced from PubChem (CID 1186780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).